ethyl 4-piperidin-1-ylbutanoate

C11H21NO2 — CID 14044356

IUPACethyl 4-piperidin-1-ylbutanoate
SMILESCCOC(=O)CCCN1CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)7-6-10-12-8-4-3-5-9-12/h2-10H2,1H3
InChIKeyAPFAWTXPJCYORE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.82
Rot. Bonds5

About ethyl 4-piperidin-1-ylbutanoate

ethyl 4-piperidin-1-ylbutanoate (PubChem CID 14044356) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 4-piperidin-1-ylbutanoate.

Molecular Properties

Compound Nameethyl 4-piperidin-1-ylbutanoate
PubChem CID14044356
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 4-piperidin-1-ylbutanoate
SMILESCCOC(=O)CCCN1CCCCC1
InChIInChI=1S/C11H21NO2/c1-2-14-11(13)7-6-10-12-8-4-3-5-9-12/h2-10H2,1H3
InChIKeyAPFAWTXPJCYORE-UHFFFAOYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
ethyl 4-(4-chloropiperidin-1-yl)butanoate
CID 71533979
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
methyl 4-(azocan-1-yl)butanoate
CID 43377737
ethyl 4-(4-hydroxypiperidin-1-yl)butanoate
CID 66524329
diethyl 2-(3-piperidin-1-ylpropyl)butanedioate
CID 90300751
ethyl 7-piperazin-1-ylheptanoate
CID 21477471
2-piperidin-1-ylethyl hexanoate
CID 59204070
ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate
CID 46318531
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
ethyl 2-(azocan-1-yl)acetate
CID 25219274
2-piperidin-1-ylethyl heptadecanoate
CID 118631056

Frequently Asked Questions

What is the IUPAC name of ethyl 4-piperidin-1-ylbutanoate?
The IUPAC name of ethyl 4-piperidin-1-ylbutanoate (CID 14044356) is ethyl 4-piperidin-1-ylbutanoate.
What is the SMILES notation for ethyl 4-piperidin-1-ylbutanoate?
The canonical SMILES for ethyl 4-piperidin-1-ylbutanoate is CCOC(=O)CCCN1CCCCC1.
What is the InChIKey of ethyl 4-piperidin-1-ylbutanoate?
The InChIKey is APFAWTXPJCYORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-14-11(13)7-6-10-12-8-4-3-5-9-12/h2-10H2,1H3.
What are the key properties of ethyl 4-piperidin-1-ylbutanoate?
ethyl 4-piperidin-1-ylbutanoate has a molecular weight of 199.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-piperidin-1-ylbutanoate is sourced from PubChem (CID 14044356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).